Molecular Properties | |
SMILES: | N#Cc1ccccc1C(=O)C(=O)N1CCN(C(=O)CCl)CC1 |
MW: | 319.07 |
Fraction sp3: | 0.33 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 81.48 |
cLogP: | 0.65 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
alpha_dicarbonyl
diketo group
α-Diketones
Filter41_12_dicarbonyl
1,2-dicarbonyl not in ring
Ketone
Oxalyl
AAR-POS-d2a4d1df-24
MAK-UNK-6ca90168-5
0.719
MAK-UNK-6ca90168-4
0.593
MAK-UNK-6ca90168-3
0.581
MAK-UNK-6ca90168-9
0.508
AAR-POS-d2a4d1df-37
0.471
MAR-TRE-6a44bbf2-7
0.471
MAK-UNK-6ca90168-8
0.464
MAK-UNK-6ca90168-7
0.457
MAK-UNK-987948f6-3
0.438
MAK-UNK-6ca90168-18
0.436
MAK-UNK-987948f6-2
0.403
DRR-IMP-38dce17f-7
0.394
MAK-UNK-6ca90168-14
0.394
MAK-UNK-987948f6-5
0.393
SAD-SAT-1b030f84-9
0.388
MAK-UNK-6ca90168-17
0.386
MAR-TRE-6a44bbf2-92
0.382
SWA-SYN-d2e6fa14-7
0.380
SWA-SYN-6423ea73-7
0.380
MAK-UNK-987948f6-4
0.379
AHN-SAT-de2502ba-7
0.379
DAV-CRI-d1e0885a-1
0.375
SAD-SAT-f2e2579e-4
0.373
DRR-IMP-dff87f5e-9
0.371
MED-COV-4280ac29-24
0.367
FAB-UNK-7ad5ab26-3
0.366
MAK-UNK-704ed37c-11
0.364
SAD-SAT-89668ff1-8
0.362
MAK-UNK-6ca90168-1
0.361
DRR-IMP-38dce17f-3
0.359
MAK-UNK-7c9d1431-24
0.359
MAK-UNK-6ca90168-10
0.358
MAR-TRE-6a44bbf2-21
0.358
MAK-UNK-7c9d1431-9
0.358
MAT-POS-ee51dedd-1
0.356
MAK-UNK-10dfa458-39
0.356
DRR-IMP-db50bf6e-3
0.354
WAR-XCH-72a8c209-6
0.354
MAK-UNK-6ca90168-15
0.353
MAT-POS-162a9720-5
0.353
SIM-SYN-f15aaa3a-1
0.348
AAR-POS-d2a4d1df-25
0.348
AHN-SAT-de2502ba-8
0.348
MAR-TRE-6a44bbf2-61
0.348
AAR-POS-d2a4d1df-29
0.348
DRR-IMP-db50bf6e-1
0.348
MAK-UNK-6ca90168-20
0.348
SAD-SAT-3a925b8b-5
0.348
DRR-IMP-db50bf6e-2
0.347
AAR-POS-0daf6b7e-21
0.345
MAK-UNK-6ca90168-16
0.345
JOH-UNI-27ac80fd-25
0.343
AAR-POS-0daf6b7e-16
0.343
SAD-SAT-5b1897b2-10
0.343
SWA-SYN-d2e6fa14-1
0.343
MAK-UNK-7c9d1431-12
0.343
MAK-UNK-7c9d1431-20
0.343
SWA-SYN-6423ea73-1
0.343
AHN-SAT-de2502ba-14
0.343
SAD-SAT-65574d3f-1
0.343
STE-KUL-2e0d2e88-1
0.342
DAR-DIA-3e9bbd81-11
0.342
MAK-UNK-10dfa458-38
0.341
MAK-UNK-6c8f5f75-1
0.339
SAD-SAT-5b1897b2-3
0.338
STE-KUL-2e0d2e88-2
0.338
MAK-UNK-c74072e5-4
0.337
ASH-SAT-43770c7d-10
0.333
MAK-UNK-7c9d1431-28
0.333
AAR-POS-d2a4d1df-28
0.333
MAR-TRE-6a44bbf2-8
0.333
AAR-POS-d2a4d1df-34
0.333
DRR-IMP-dff87f5e-5
0.333
MAK-UNK-7c9d1431-6
0.333
MAK-UNK-52a1ef4b-1
0.333
MAR-TRE-6a44bbf2-77
0.333
SAD-SAT-1b030f84-4
0.333
DRR-IMP-38dce17f-5
0.333
SAD-SAT-1b030f84-8
0.333
SAD-SAT-bc31ec01-10
0.329
FAB-UNK-7ad5ab26-1
0.329
FAB-NA_-a03f4448-1
0.329
FAB-UNK-03d90bbc-1
0.329
DAR-DIA-fb20be43-6
0.329
DAV-CRI-d1e0885a-6
0.329
DAV-CRI-d1e0885a-5
0.329
MAK-UNK-af83ef51-2
0.329
MAR-LAB-ca4662a6-2
0.329
MAK-UNK-849bee6c-9
0.325
MAR-TRE-6a44bbf2-1
0.325
DAV-CRI-d1e0885a-4
0.325
SWA-SYN-6423ea73-2
0.324
MAR-TRE-6a44bbf2-29
0.324
SWA-SYN-d2e6fa14-2
0.324
MAR-TRE-6a44bbf2-28
0.324
AAR-POS-d2a4d1df-24
0.324
MAK-UNK-7c9d1431-23
0.324
SAD-SAT-1b030f84-5
0.324
TAM-UNI-d1c3dd9f-17
0.321
TAM-UNI-d1c3dd9f-18
0.321